(3S)-N-(4-bromanyl-2-chloranyl-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-2-chloranyl-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2-chloro-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-chlorophenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2-chloro-phenyl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C19H20BrClN2O4S MolecularWeight: 487.7951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C19H20BrClN2O4S/c1-27-15-5-7-16(8-6-15)28(25,26)23-10-2-3-13(12-23)19(24)22-18-9-4-14(20)11-17(18)21/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,24)/t13-/m0/s1